ChemSpider 2D Image | [4-(3-Chlorophenyl)-1-piperazinyl][1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone | C27H23Cl3N4O2

[4-(3-Chlorophenyl)-1-piperazinyl][1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

  • Molecular FormulaC27H23Cl3N4O2
  • Average mass541.856 Da
  • Monoisotopic mass540.088684 Da
  • ChemSpider ID2580473

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[4-(3-Chlorophenyl)-1-piperazinyl][1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone [ACD/IUPAC Name]
[4-(3-Chlorophényl)-1-pipérazinyl][1-(3,4-dichlorophényl)-3-(4-méthoxyphényl)-1H-pyrazol-5-yl]méthanone [French] [ACD/IUPAC Name]
[4-(3-Chlorphenyl)-1-piperazinyl][1-(3,4-dichlorphenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [4-(3-chlorophenyl)-1-piperazinyl][1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 735.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.5±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 145.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9263.81
ACD/KOC (pH 5.5): 24043.58
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9265.18
ACD/KOC (pH 7.4): 24047.14
Polar Surface Area: 51 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 392.0±7.0 cm3

Click to predict properties on the Chemicalize site


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